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NCID-ZINC04353234

 MMsINC code: MMs02383628
Type: Neutral
Formula: C16H22O11
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14-,15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=63.5763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.341 g/mol  logS: -1.8404  SlogP: -0.3674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270096  Sterimol/B1: 2.85915  Sterimol/B2: 4.63934  Sterimol/B3: 5.1595
  Sterimol/B4: 8.89706  Sterimol/L: 15.0846 
 
 Surface and Volume Properties
  Accessible surface: 639.123  Positive charged surface: 391.948  Negative charged surface: 247.175  Volume: 337.75
  Hydrophobic surface: 470.465  Hydrophilic surface: 168.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.